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Gangadharan R.,Ethiraj College for Women Autonomous | Haribabu J.,National Institute of Technology Tiruchirappalli | Karvembu R.,National Institute of Technology Tiruchirappalli | Sethusankar K.,RKM Vivekananda College Autonomous | Stoeckli-Evans H.,University of Neuchatel
Acta Crystallographica Section E: Structure Reports Online | Year: 2015

The title compounds, C13H13N3O2S·0.5H2O, (I), and C17H14ClN3OS, (II), are hydrazinecarbothioamide derivatives. Compound (I) crystallizes with two independent molecules (A and B) and a water molecule of crystallization in the asymmetric unit. The chromene moiety is essentially planar in molecules A and B, with maximum deviations of 0.028 (3) and 0.016 (3) Å, respectively, for the carbonyl C atoms. In (II), the pyran ring of the chromene moiety adopts a screw-boat conformation and the phenyl ring is inclined by 61.18 (9)° to its mean plane. In the crystal of (I), bifurcated N - H⋯O and C - H⋯O hydrogen bonds link the two independent molecules forming A-B dimers with two R 12(6) ring motifs, and R 22(10) and R 22(14) ring motifs. In addition to these, the water molecule forms tetrafurcated hydrogen bonds which alternately generate R44(12) and R66(22) graph-set ring motifs. There are also π-π [inter-centroid distances = 3.5648 (14) and 3.6825 (15) Å] interactions present, leading to the formation of columns along the c-axis direction. In the crystal of (II), molecules are linked by pairs of N - H⋯S hydrogen bonds, forming inversion dimers with an R22(8) ring motif. The dimers are linked by C - H⋯π interactions, forming ribbons lying parallel to (210). Source


Gangadharan R.,Ethiraj College for Women Autonomous | Kiruthika S.E.,CSIR - Central Leather Research Institute | Sethusankar K.,RKM Vivekananda College Autonomous | Perumal P.T.,CSIR - Central Leather Research Institute
Acta Crystallographica Section E: Structure Reports Online | Year: 2014

In the title compound, C19H13BrN2O5, the spiro furan ring is almost planar with a maximum deviation of 0.034(2)Å. The indole unit and the furan ring are normal to each other, making a dihedral angle of 87.82(8) °. The molecular structure is stabilized by an intramolecular N - HO hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked via pairs of N - HO hydrogen bonds, forming inversion dimers enclosing R2 2(8) ring motifs. © Gangadharan et al. 2014. Source


Gangadharan R.,Ethiraj College for Women Autonomous | Haribabu J.,National Institute of Technology Tiruchirappalli | Karvembu R.,National Institute of Technology Tiruchirappalli | Sethusankar K.,RKM Vivekananda College Autonomous
Acta Crystallographica Section E: Structure Reports Online | Year: 2014

In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56(9) and 47.62(12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N-H atoms of the thiourea unit adopt an anti conformation. The chromene group is positioned trans, whereas the cyclohexyl ring lies in the cis position to the thione S atom, with respect to the thiourea C-N bond. In the crystal, molecules are linked by N-H⋯S hydrogen bonds, forming inversion dimers enclosing R 22(8) ring motifs. The dimers are linked by C-H⋯Cl hydrogen bonds, enclosing R 66(44) ring motifs, forming sheets lying parallel to (010). Source


Gangadharan R.,Ethiraj College for Women Autonomous | Sethusankar K.,RKM Vivekananda College Autonomous | Murugan G.,University of Madras | Bakthadoss M.,University of Madras
Acta Crystallographica Section E: Structure Reports Online | Year: 2011

In the title compound, C 19H 18N 2O 2, the dihedral angle between the mean planes of the fused chromeno and isoxazole units is 43.71 (7)°. The isoxazole and pyran rings exhibit envelope and half chair conformations, respectively. The crystal packing is stabilized by inter-molecular C - H⋯π inter-actions. © Gangadharan et al. 2011. Source


Gangadharan R.,Ethiraj College for Women Autonomous | Sethusankar K.,RKM Vivekananda College Autonomous | Murugan G.,University of Madras | Bakthadoss M.,University of Madras
Acta Crystallographica Section E: Structure Reports Online | Year: 2011

In the title compound, C22H18N2O 2, the pyran ring of the chromene unit is fused with an isoxazole ring, which adopts an N-envelope conformation with the N atom lying 1.3291 (14) Å from the mean plane of the remaining ring atoms [maximum deviation = 0.341 (2) Å]. The dihedral angle between the isoxazole and chromene units is 43.74 (8)° and that between the iosxazole ring and the naphthalene ring system is 58.82 (8)°. In the crystal, the molecules are linked by weak C - H⋯π interactions. Source

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